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4,4-Dimethylcholest-5-en-3.beta.-yl acetate

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4,4-Dimethylcholest-5-en-3.beta.-yl acetate
SpectraBase Compound ID 5QgQTLancCY
InChI InChI=1S/C31H52O2/c1-20(2)10-9-11-21(3)24-13-14-25-23-12-15-27-29(5,6)28(33-22(4)32)17-19-31(27,8)26(23)16-18-30(24,25)7/h15,20-21,23-26,28H,9-14,16-19H2,1-8H3/t21-,23+,24-,25+,26+,28+,30-,31-/m1/s1
InChIKey PTDBQIJPNPGLEF-AFJAJXPWSA-N
Mol Weight 456.8 g/mol
Molecular Formula C31H52O2
Exact Mass 456.396731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4aguVabi72C
Name 4,4-DIMETHYLCHOLEST-5-EN-3-BETA-YL-ACETATE
Compound Number 5F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H52O2
InChI InChI=1S/C31H52O2/c1-20(2)10-9-11-21(3)24-13-14-25-23-12-15-27-29(5,6)28(33-22(4)32)17-19-31(27,8)26(23)16-18-30(24,25)7/h15,20-21,23-26,28H,9-14,16-19H2,1-8H3/t21-,23+,24-,25+,26+,28+,30-,31-/m1/s1
InChIKey PTDBQIJPNPGLEF-AFJAJXPWSA-N
Literature Reference Author T.AKIHISA,Y.KIMURA,W.C.M.C.KOKKE,S.TAKASE,K.YASUKAWA,T.TAMUR A
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2379(1996)
Literature Reference DOI 10.1039/p19960002379
Molecular Weight 456.753 g/mol
Solvent CDCl3
Source File Reference WANG1903